ethyl-[1-[(1S,3R)-3-methylcyclohexyl]piperidin-4-yl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[1-[(1S,3R)-3-methylcyclohexyl]piperidin-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[1-[(1S,3R)-3-methylcyclohexyl]-4-piperidyl]ammonium CAS Name: ethyl-[1-[(1S,3R)-3-methylcyclohexyl]-4-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[1-[(1S,3R)-3-methylcyclohexyl]piperidin-4-yl]azanium Traditional Name: benzyl-ethyl-[1-[(1S,3R)-3-methylcyclohexyl]-4-piperidyl]ammonium Formula: C21H35N2+ MolecularWeight: 315.516

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C2CCN(CC2)C3CCCC(C3)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C2CCN(CC2)[C@H]3CCC[C@H](C3)C

InChI

InChI=1S/C21H34N2/c1-3-22(17-19-9-5-4-6-10-19)20-12-14-23(15-13-20)21-11-7-8-18(2)16-21/h4-6,9-10,18,20-21H,3,7-8,11-17H2,1-2H3/p+1/t18-,21+/m1/s1